SCHEMBL2903095

SCHEMBL2903095

CS(=O)(=O)OCCCOc1ccc(C#N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MMP2 P08253 5/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
HRH3 Q9Y5N1 6/20 0.45
MMP9 P14780 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1B Q00975 1/20 0.45
MMP3 P08254 4/20 0.44
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7959199 0.97 ALDH1A1 (0.51) MAPTALDH1A1MMP2CA1CA2
SCHEMBL6275066 0.92 MAPT (0.57) MAPTALDH1A1MMP2CA1CA2
SCHEMBL25228734 0.91 HDAC1 (0.56) MAPTALDH1A1MMP2HRH3MMP9
SCHEMBL25275009 0.91 HDAC1 (0.56) MAPTALDH1A1MMP2HRH3MMP9
SCHEMBL25270396 0.91 HDAC1 (0.56) MAPTALDH1A1MMP2HRH3MMP9
SCHEMBL6739953 0.87 MAPT (0.53) MAPTALDH1A1MMP2CA1CA2
SCHEMBL7991607 0.87 MMP2 (0.55) MAPTALDH1A1MMP2HRH3MMP9
SCHEMBL4510392 0.82 MMP2 (0.48) MAPTALDH1A1MMP2CA1CA2
SCHEMBL7417122 0.82 TSHR (0.47) MAPTALDH1A1CA1CA2CA9
SCHEMBL4517485 0.82 ALDH1A1 (0.42) MAPTALDH1A1MMP2HRH3MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-8536343-B2 Arylamidine derivative, salt thereof and antifungal agent containing those TOYAMA CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
WO-2013054338-A1 2-THIO-IMIDAZOLE DERIVATIVES AS TGR5 MODULATORS CADILA HEALTHCARE LIMITED (IN) 2013-04-18 WO disclosed
EP-1767526-B1 ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
EP-1967190-B1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO LTD (JP) 2010-08-04 EP disclosed
US-7700623-B2 Arylamidine derivative, salt thereof, and antifungal containing these TOYAMA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2010-01-21 US disclosed
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These TOYAMA CHEMICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1967190-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE TOYAMA CHEMICAL CO., LTD. (JP) 2008-09-10 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed
EP-1767526-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF, AND ANTIFUNGAL CONTAINING THESE TOYAMA CHEMICAL CO., LTD. (JP) 2007-03-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100016602-A1 NOVEL ARYLAMIDINE DERIVATIVE, SALT THEREOF AND ANTIFUNGAL AGENT CONTAINING THOSE ERG28, DPM1, NAT1 MAPT 3694/4885ALDH1A1 2232/4885MMP2 1894/4885
US-20080319016-A1 Novel Arylamidine Derivative, Salt Thereof, and Antifungal Containing These NAT1, ERG28, SLC7A1 MAPT 3680/4885ALDH1A1 2233/4885MMP2 3965/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.